Synergistic Reaction of SO2 with NO2 in Presence of H2 O and NH3 : A Potential Source of Sulfate Aerosol

International Journal of Molecular Sciences
Zehua WangZhiqiang Li

Abstract

Effect of H2O and NH3 on the synergistic oxidation reaction of SO2 and NO2 is investigated by theoretical calculation using the molecule system SO2-2NO2-nH2O (n = 0, 1, 2, 3) and SO2-2NO2-nH2O-mNH3 (n = 0, 1, 2; m = 1, 2). Calculated results show that SO2 is oxidized to SO3 by N2O4 intermediate. The additional H2O in the systems can reduce the energy barrier of oxidation step. The increasing number of H2O molecules in the systems enhances the effect and promotes the production of HONO. When the proportion of H2O to NH3 is 1:1, with NH3 included in the system, the energy barrier is lower than two pure H2O molecules in the oxidation step. The present study indicates that the H2O and NH3 have thermodynamic effects on promoting the oxidation reaction of SO2 and NO2, and NH3 has a more significant role in stabilizing product complexes. In these hydrolysis reactions, nethermost barrier energy (0.29 kcal/mol) can be found in the system SO2-2NO2-H2O. It is obvious that the production of HONO is energetically favorable. A new reaction mechanism about SO2 oxidation in the atmosphere is proposed, which can provide guidance for the further study of aerosol surface reactions.

References

Jan 24, 1992·Science·R J CharlsonD J Hofmann
Jun 27, 2008·The Journal of Physical Chemistry. a·Qingxin MaHong He
Apr 25, 2009·Journal of the American Chemical Society·Yifat MillerR Benny Gerber
Oct 14, 2011·Physical Chemistry Chemical Physics : PCCP·Chang LiuHong He
Nov 3, 2011·Chemical Reviews·Renyi ZhangWen Xu
Apr 18, 2012·The Journal of Physical Chemistry. a·R S ZhuM C Lin
Jul 12, 2012·Journal of the American Chemical Society·Wei-Guang Liu, William A Goddard
Jan 30, 2014·Physical Chemistry Chemical Physics : PCCP·Mychel E VarnerR Benny Gerber
May 6, 2015·Chemical Reviews·Renyi ZhangYuan Wang
Nov 17, 2016·Proceedings of the National Academy of Sciences of the United States of America·Gehui WangMario J Molina
Mar 2, 2017·Environmental Science & Technology·Qingxin MaYutong Liang
Mar 8, 2017·Physical Chemistry Chemical Physics : PCCP·Bo LongDonald G Truhlar
Apr 18, 2018·The Journal of Physical Chemistry. a·Jay A KrollVeronica Vaida

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Citations

May 29, 2021·Scientific Reports·Zhaoyu MoShanshan Wang

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